SCHEMBL7762828

SCHEMBL7762828

Cc1ccc(S(=O)(=O)NCCCC[C@H](N)C(=O)O)cc1.O=CCCl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.48
HTT P42858 1/20 0.48
TSHR P16473 1/20 0.48
LMNA P02545 2/20 0.47
NPSR1 Q6W5P4 1/20 0.47
CA12 O43570 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
RAB9A P51151 1/20 0.45
TBXAS1 P24557 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.44
MBTD1 Q05BQ5 1/20 0.44
ALOX15 P16050 1/20 0.44
GBA1 P04062 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Hydrochloric Acid SCHEMBL11261063 0.99 ALDH1A1 (0.47) ALDH1A1HTTTSHRLMNANPSR1
SCHEMBL3730989 0.92 ALDH1A1 (0.55) ALDH1A1HTTTSHRLMNANPSR1
SCHEMBL9497964 0.92 ALDH1A1 (0.55) ALDH1A1HTTTSHRLMNANPSR1
SCHEMBL3449699 0.92 ALDH1A1 (0.55) ALDH1A1HTTTSHRLMNANPSR1
Hydrochloric Acid SCHEMBL4438846 0.91 ALDH1A1 (0.54) ALDH1A1HTTTSHRLMNANPSR1
SCHEMBL4432223 0.88 ALDH1A1 (0.56) ALDH1A1HTTTSHRLMNANPSR1
SCHEMBL8023841 0.83 GBA1 (0.55) ALDH1A1HTTLMNANPSR1CA12
Hydrochloric Acid SCHEMBL8567005 0.81 GBA1 (0.54) ALDH1A1HTTLMNANPSR1CA12
SCHEMBL3448866 0.80 ALDH1A1 (0.63) ALDH1A1TSHRLMNAGBA1
SCHEMBL14615873 0.80 ALDH1A1 (0.63) ALDH1A1TSHRLMNAGBA1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090125-A2 DNA ENCODING METHYMYCIN AND PIKROMYCIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2001-04-11 EP disclosed
WO-2000000620-A2 DNA ENCODING METHYMYCIN AND PIKROMYCIN REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2000-01-06 WO disclosed
WO-1999021580-A1 REAGENTS AND IMMUNOASSAY FOR THE DETECTION AND QUANTITATIVE DETERMINATION OF MYCOTHIOL AND PRECURSORS THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1999-05-06 WO disclosed
EP-0158981-B1 NEW PROTEASE AND PROCESS FOR PRODUCTION AND USE THEREOF SUNTORY LIMITED (JP) 1991-07-10 EP disclosed